371212-94-1
Product Name:
ethyl 2-(benzylcarbamothioylamino)-5-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate
Formula:
C21H26N2O3S2
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COMPUTED DESCRIPTORS
| Molecular Weight | 418.6 g/mol |
|---|---|
| XLogP3 | 4.9 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 7 |
| Exact Mass | 418.13848504 g/mol |
| Monoisotopic Mass | 418.13848504 g/mol |
| Topological Polar Surface Area | 120 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 540 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |